elrotador
=========

Performs simple geometrical deformations on molecular geometries

Please note that this module is the result of a hobbyist application
and merely supports what I need for my own studies. Elrotador does
not aim to be a full-fledged generic solution for performing manipulations
on molecular geometries.

Features
--------

  * Alter bond length
  * Alter dihedral
  * Read CML
  * Write XYZ
  * Write Psi4 input format

Limitations
-----------

  * Manipulations  may only be done in non-cyclical parts of the molecule
